SCHEMBL6853574

SCHEMBL6853574

O=C(O)CC1CN(C(=O)c2cccnc2)c2cc(NC(=O)CCNc3ccccn3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
ITGA2B P08514 1/20 0.36
ITGB5 P18084 1/20 0.36
RORC P51449 5/20 0.36
LDLR P01130 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
ROCK2 O75116 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6854362 0.95 ITGB3 (0.38) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6862326 0.95 ITGB3 (0.39) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7708666 0.94 GAA (0.40) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6862254 0.94 GAA (0.40) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL7711497 0.89 ITGB3 (0.41) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6859195 0.89 ITGB3 (0.41) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6859242 0.88 ITGB3 (0.42) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6860727 0.87 SMN1; SMN2 (0.36) ITGB3ITGAVITGA2BRORCLDLR
SCHEMBL6859135 0.84 GAA (0.42) GAAITGB3ITGAVITGA2BITGB5
SCHEMBL6860649 0.82 GAA (0.41) GAAITGB3ITGAVITGA2BITGB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 GAA 2127/4885ITGB3 3/4885ITGAV 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.